PubChemLite - Bornyl isovalerate (C15H26O2)

Structural Information

Molecular Formula

C₁₅H₂₆O₂

SMILES

CC(C)CC(=O)O[C@@H]1C[C@@H]2CC[C@]1(C2(C)C)C

InChI

InChI=1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3/t11-,12+,15+/m0/s1

InChIKey

MPYYVGIJHREDBO-YWPYICTPSA-N

Compound name

[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 3-methylbutanoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	239.20056	159.0
[M+Na]+	261.18250	166.0
[M+NH4]+	256.22710	170.0
[M+K]+	277.15644	160.7
[M-H]-	237.18600	158.4
[M+Na-2H]-	259.16795	161.1
[M]+	238.19273	159.9
[M]-	238.19383	159.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

239.20056

159.0

[M+Na]+

261.18250

166.0

[M+NH4]+

256.22710

170.0

[M+K]+

277.15644

160.7

[M-H]-

237.18600

158.4

[M+Na-2H]-

259.16795

161.1

[M]+

238.19273

159.9

[M]-

238.19383

159.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Bornyl isovalerate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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